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Compound Detail

CHEMBL4171464

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O=c1c(OCc2ccncc2)coc2cccc(CC3CCCCC3)c12

Basic Information

ChEMBL ID CHEMBL4171464
Phase Preclinical
Structure Type MOL
InChI Key JBPSRYICUAAIBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.89
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23NO3
MW 349.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 24000.0 nM 4.62 Inhibition of mouse IL-5-induced cell proliferation in mouse Y16 cells after 48 ... 28803045

Literature References

PubMed DOI Target Context # Activities
28803045 10.1016/j.ejmech.2017.07.069 Interleukin-5 2

Data from ChEMBL 36 via Core Engine